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English
[(2S,3E,5E)-2-hydroxytrideca-3,5-dien-7,9,11-triynyl] acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(3E)-2-hydroxytrideca-3,5-dien-7,9,11-triyn-1-yl acetate
1 reference
based on heuristic
inferred from SMILES
2-Hydroxytrideca-3,5-dien-7,9,11-triynyl acetate
1 reference
based on heuristic
inferred from SMILES
mass
242.094294308
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
[(2S,3E,5Z)-2-hydroxytrideca-3,5-dien-7,9,11-triynyl] acetate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₄O₃
0 references
canonical SMILES
O=C(OCC(O)C=CC=CC#CC#CC#CC)C
0 references
isomeric SMILES
CC#CC#CC#C/C=C/C=C/[C@H](O)COC(C)=O
0 references
found in taxon
Rhaponticoides ruthenica
1 reference
stated in
Weitere acetylenverbindungen aus Centaurea ruthenica
Identifiers
InChI
InChI=1S/C15H14O3/c1-3-4-5-6-7-8-9-10-11-12-15(17)13-18-14(2)16/h9-12,15,17H,13H2,1-2H3/b10-9+,12-11+/t15-/m0/s1
0 references
InChIKey
WPXNKSSBPIWBOL-VUHATZBZSA-N
0 references
PubChem CID
162891596
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WPXNKSSBPIWBOL-VUHATZBZSA-N
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